Iteris: Agentic Research Loops for Computational Mathematics
Authors: Leheng Chen, Zihao Liu, Wanyi He, Bin Dong
Organizations: School of Mathematical Sciences, Peking University · 5Zhongguancun Academy · 2Beijing International Center for Mathematical Research and the New Cornerstone Science Laboratory, Peking University · Center for Machine Learning Research, Peking University · Center for Intelligent Computing, Great Bay Institute for Advanced Study, Great Bay University
Abstract
Recent advances in large language models and agentic AI systems have enabled significant progress in mathematical discovery, from solving competition problems to tackling research-level conjectures. However, open problems in computational mathematics have received comparatively less attention: research in this area often requires not only proofs but also numerical experimentation, adversarial constructions, and algorithm design. In this paper, we introduce an agentic research system, Iteris, designed for open problems in computational mathematics. We apply Iteris to two open problems from a recent Simons Workshop collection (arXiv:2602.05394). In these case studies, Iteris generated numerical evidence, constructions, and proof drafts that led, after expert review and correction, to verified results. The first result is a phase diagram for the asymptotic comparison between conjugate gradient and randomized coordinate descent on power-law spectra; the second is a counterexample showing that QR factorization with column pivoting can fail to select well-conditioned submatrices even under low coherence. These case studies suggest that agentic AI systems can participate meaningfully in research workflows for open problems in computational mathematics, while human validation remains essential.
We introduce the AI co-mathematician, a workbench for mathematicians to interactively leverage AI agents to pursue open-ended research. The AI co-mathematician is optimized to provide holistic support for the exploratory and iterative reality of mathematical workflows, including ideation, literature search, computational exploration, theorem proving and theory building. By providing an asynchronous, stateful workspace that manages uncertainty, refines user intent, tracks failed hypotheses, and outputs native mathematical artifacts, the system mirrors human collaborative workflows. In early tests, the AI co-mathematician helped researchers solve open problems, identify new research directions, and uncover overlooked literature references. Besides demonstrating a highly interactive paradigm for AI-assisted mathematical discovery, the AI co-mathematician also achieves state of the art results on hard problem-solving benchmarks, including scoring 48% on FrontierMath Tier 4, a new high score among all AI systems evaluated.
Large language models (LLMs) have shown increasing promise in solving open problems in mathematics. However, their performance can be further improved through agentic workflows tailored to real-world mathematical practice. To this end, we introduce ProofCouncil, a mathematical agent that is designed to tackle open problems using an author-critic architecture. ProofCouncil served as a submission to the second batch of FirstProof, a challenge consisting of 10 real-world mathematical problems that agents must solve autonomously. Its submissions for 6 of the 10 problems were judged by the referees to be correct up to at most minor revisions, showing the best performance among participating teams. We also evaluate ProofCouncil on 30 open problems collected from mathematical researchers. Among the 21 solutions that received human feedback, 5 were judged completely correct, 2 more were judged promising pending final verification, and a further 8 contained useful partial progress. In this short paper, we describe the development of ProofCouncil and the agent-building library used to create it, which we release as open source to the community.
Johannes Schmitt, Tim Gehrunger, Jasper Dekoninck +4
Recent advances in AI for Mathematics have focused largely on autoformalization and theorem proving, leaving the role of Computer Algebra Systems (CAS) in agentic LLM workflows underexplored. We propose a ReAct-style agentic setup that combines LLM reasoning with verifiable feedback from SageMath, together with Context7 for the up-to-date documentation. We evaluate this agentic setup across frontier models for solving research-level mathematical problems from the RealMath benchmark in a setting that emulates a computational-mathematics research loop. We also propose a refinement to the RealMath benchmark by introducing a multi-step post-processing procedure and a multi-stage validation pipeline, both of which improve the quality and reliability of the extracted problem set. Our experiments reveal substantial performance gains from SageMath access across all evaluated models on +9.7pp on average, the gains range from 1.5pp to 27.8pp and narrow the gap between open-weight and closed models. Qwen3.7-Max benefits from SageMath the most, while GPT-5.5 achieves the highest solve rate of 75.2% and the lowest token usage among tool-enabled configurations. Our findings suggest that CAS-augmented agents represent a promising direction for assisting mathematicians in computational exploration, and we believe that this work is a step towards automated conjecture discovery. The project repository is available online.